SCHEMBL2153422

SCHEMBL2153422

C=C(C#N)C(=O)O.CC/C(=C/C#N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL143409 0.87
SCHEMBL143410 0.87
SCHEMBL1973240 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL7635482 0.83 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL7628332 0.81 GPR84 (0.38) ALDH1A1TSHR
SCHEMBL1973730 0.81 GPR84 (0.38) ALDH1A1TSHR
Propane SCHEMBL11541314 0.78 ALDH1A1 (0.52) ALDH1A1TSHR
Alcohol SCHEMBL28614406 0.76 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL9069608 0.76 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL9816901 0.76 ALDH1A1 (0.34) ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971421-B1 INSERTION-POINT SEAL FOR SPIRAL WOUND MODULE DOW GLOBAL TECHNOLOGIES LLC (US) 2011-07-06 EP claimed
EP-0490143-B1 Method and apparatus for tipping sutures UNITED STATES SURGICAL CORP (US) 1996-01-31 EP claimed